CID 12667966

2-amino-3,6-dibromobenzoic acid

Structural Information

Molecular Formula
C7H5Br2NO2
SMILES
C1=CC(=C(C(=C1Br)C(=O)O)N)Br
InChI
InChI=1S/C7H5Br2NO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChIKey
SQZPTOHJOFPPLZ-UHFFFAOYSA-N
Compound name
2-amino-3,6-dibromobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

292.8687 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.875976 139.4
[M+Na]+ 315.857918 150.1
[M-H]- 291.861424 144.9
[M+NH4]+ 310.902523 157.5
[M+K]+ 331.831858 133.9
[M+H-H2O]+ 275.865960 146.3
[M+HCOO]- 337.866901 154.7
[M+CH3COO]- 351.882551 202.3
[M+Na-2H]- 313.843366 144.5
[M]+ 292.86815142 171.3
[M]- 292.86924858 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe